(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H13N3O2 — CID 107209954

IUPAC(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cc(N)cc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C10H13N3O2/c11-7-1-6(2-8(12)3-7)10(15)13-4-9(14)5-13/h1-3,9,14H,4-5,11-12H2
InChIKeyNPKNMHURMDKBPG-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.33
Rot. Bonds1

About (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone

(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 107209954) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID107209954
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cc(N)cc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C10H13N3O2/c11-7-1-6(2-8(12)3-7)10(15)13-4-9(14)5-13/h1-3,9,14H,4-5,11-12H2
InChIKeyNPKNMHURMDKBPG-UHFFFAOYSA-N
XLogP-0.33
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
(3-amino-5-methylphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113396208
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,5-diaminophenyl)methanone
CID 107210418
(3-amino-5-fluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530093
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
(2-amino-5-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107223766
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(3-hydroxyazetidin-1-yl)-(3-iodo-5-nitrophenyl)methanone
CID 75437389

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 107209954) is (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone is Nc1cc(N)cc(C(=O)N2CC(O)C2)c1.
What is the InChIKey of (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is NPKNMHURMDKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-7-1-6(2-8(12)3-7)10(15)13-4-9(14)5-13/h1-3,9,14H,4-5,11-12H2.
What are the key properties of (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107209954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).